USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 CYS SG : rot 180:sc= 1.4 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -2.3 K(o=3.5,f=1.9) USER MOD Set 1.3: A 134 CYS SG : rot 141:sc= -0.403! USER MOD Set 1.4: A 137 CYS SG : rot -30:sc= 2.92 USER MOD Set 1.5: A 139 SER OG : rot -68:sc= 0.863 USER MOD Set 1.6: A 141 TYR OH : rot 30:sc= 1.06 USER MOD Single : A 94 MET CE :methyl 173:sc= 0 (180deg=-0.0298) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.14) USER MOD Single : A 102 SER OG : rot -116:sc= 0.811 USER MOD Single : A 103 TYR OH : rot -15:sc= 1.3 USER MOD Single : A 106 TYR OH : rot -26:sc= 1.29 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 104:sc= 1.22 USER MOD Single : A 114 SER OG : rot 180:sc= 0.258 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 122 MET CE :methyl -152:sc= -2.6! (180deg=-4.64!) USER MOD Single : A 125 LYS NZ :NH3+ 172:sc= -0.0093 (180deg=-0.103) USER MOD Single : A 127 THR OG1 : rot 171:sc= 1.21 USER MOD Single : A 129 ASN : amide:sc= -0.0195 X(o=-0.02,f=-0.02) USER MOD Single : A 142 LYS NZ :NH3+ -142:sc= 2.75 (180deg=-0.541) USER MOD Single : A 144 ASN : amide:sc= -2.15 K(o=-2.2,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -6.069 -8.007 -0.728 1.00 0.73 N ATOM 2 CA MET A 94 -6.836 -7.687 0.472 1.00 0.86 C ATOM 3 C MET A 94 -6.786 -8.774 1.531 1.00 1.07 C ATOM 4 O MET A 94 -7.752 -9.450 1.863 1.00 2.14 O ATOM 5 CB MET A 94 -8.277 -7.400 0.076 1.00 1.10 C ATOM 6 CG MET A 94 -8.290 -6.537 -1.177 1.00 1.15 C ATOM 7 SD MET A 94 -9.773 -5.558 -1.509 1.00 1.67 S ATOM 8 CE MET A 94 -9.312 -4.021 -0.668 1.00 3.45 C ATOM 0 HA MET A 94 -6.378 -6.808 0.925 1.00 0.86 H new ATOM 0 HB2 MET A 94 -8.809 -8.334 -0.106 1.00 1.10 H new ATOM 0 HB3 MET A 94 -8.795 -6.890 0.888 1.00 1.10 H new ATOM 0 HG2 MET A 94 -7.443 -5.854 -1.122 1.00 1.15 H new ATOM 0 HG3 MET A 94 -8.119 -7.188 -2.034 1.00 1.15 H new ATOM 0 HE1 MET A 94 -10.060 -3.255 -0.874 1.00 3.45 H new ATOM 0 HE2 MET A 94 -9.259 -4.196 0.407 1.00 3.45 H new ATOM 0 HE3 MET A 94 -8.340 -3.686 -1.030 1.00 3.45 H new ATOM 18 N LYS A 95 -5.588 -8.941 2.039 1.00 1.09 N ATOM 19 CA LYS A 95 -5.296 -9.816 3.161 1.00 1.10 C ATOM 20 C LYS A 95 -4.168 -9.227 3.986 1.00 0.98 C ATOM 21 O LYS A 95 -4.384 -8.616 5.027 1.00 1.32 O ATOM 22 CB LYS A 95 -5.082 -11.266 2.658 1.00 1.16 C ATOM 23 CG LYS A 95 -4.100 -11.482 1.483 1.00 0.93 C ATOM 24 CD LYS A 95 -2.890 -12.293 1.955 1.00 1.04 C ATOM 25 CE LYS A 95 -1.707 -12.369 0.982 1.00 1.06 C ATOM 26 NZ LYS A 95 -0.463 -12.782 1.693 1.00 2.13 N ATOM 0 H LYS A 95 -4.764 -8.461 1.677 1.00 1.09 H new ATOM 0 HA LYS A 95 -6.140 -9.884 3.847 1.00 1.10 H new ATOM 0 HB2 LYS A 95 -4.735 -11.865 3.500 1.00 1.16 H new ATOM 0 HB3 LYS A 95 -6.052 -11.665 2.362 1.00 1.16 H new ATOM 0 HG2 LYS A 95 -4.603 -12.004 0.669 1.00 0.93 H new ATOM 0 HG3 LYS A 95 -3.772 -10.519 1.090 1.00 0.93 H new ATOM 0 HD2 LYS A 95 -2.536 -11.866 2.893 1.00 1.04 H new ATOM 0 HD3 LYS A 95 -3.221 -13.308 2.172 1.00 1.04 H new ATOM 0 HE2 LYS A 95 -1.930 -13.080 0.186 1.00 1.06 H new ATOM 0 HE3 LYS A 95 -1.556 -11.399 0.509 1.00 1.06 H new ATOM 0 HZ1 LYS A 95 0.314 -12.876 1.008 1.00 2.13 H new ATOM 0 HZ2 LYS A 95 -0.214 -12.063 2.402 1.00 2.13 H new ATOM 0 HZ3 LYS A 95 -0.620 -13.695 2.166 1.00 2.13 H new ATOM 40 N ASP A 96 -2.975 -9.381 3.441 1.00 0.81 N ATOM 41 CA ASP A 96 -1.688 -9.139 4.067 1.00 0.77 C ATOM 42 C ASP A 96 -0.569 -9.311 3.001 1.00 0.69 C ATOM 43 O ASP A 96 0.059 -10.363 2.891 1.00 0.86 O ATOM 44 CB ASP A 96 -1.621 -10.075 5.264 1.00 1.00 C ATOM 45 CG ASP A 96 -0.341 -9.870 6.061 1.00 1.35 C ATOM 46 OD1 ASP A 96 -0.177 -8.721 6.532 1.00 2.53 O ATOM 47 OD2 ASP A 96 0.429 -10.844 6.180 1.00 1.99 O ATOM 0 H ASP A 96 -2.873 -9.702 2.478 1.00 0.81 H new ATOM 0 HA ASP A 96 -1.548 -8.125 4.442 1.00 0.77 H new ATOM 0 HB2 ASP A 96 -2.483 -9.905 5.909 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -1.677 -11.109 4.923 1.00 1.00 H new ATOM 52 N PRO A 97 -0.471 -8.339 2.073 1.00 0.53 N ATOM 53 CA PRO A 97 0.359 -8.347 0.859 1.00 0.52 C ATOM 54 C PRO A 97 1.778 -7.812 1.064 1.00 0.52 C ATOM 55 O PRO A 97 2.751 -8.376 0.572 1.00 0.72 O ATOM 56 CB PRO A 97 -0.368 -7.390 -0.100 1.00 0.51 C ATOM 57 CG PRO A 97 -1.142 -6.452 0.824 1.00 0.45 C ATOM 58 CD PRO A 97 -1.506 -7.335 1.970 1.00 0.49 C ATOM 0 HA PRO A 97 0.474 -9.372 0.507 1.00 0.52 H new ATOM 0 HB2 PRO A 97 0.336 -6.841 -0.725 1.00 0.51 H new ATOM 0 HB3 PRO A 97 -1.037 -7.930 -0.771 1.00 0.51 H new ATOM 0 HG2 PRO A 97 -0.533 -5.607 1.144 1.00 0.45 H new ATOM 0 HG3 PRO A 97 -2.025 -6.041 0.335 1.00 0.45 H new ATOM 0 HD2 PRO A 97 -1.579 -6.759 2.893 1.00 0.49 H new ATOM 0 HD3 PRO A 97 -2.479 -7.799 1.806 1.00 0.49 H new ATOM 66 N ILE A 98 1.847 -6.652 1.710 1.00 0.54 N ATOM 67 CA ILE A 98 2.999 -5.809 1.997 1.00 0.59 C ATOM 68 C ILE A 98 2.766 -5.287 3.404 1.00 0.59 C ATOM 69 O ILE A 98 1.623 -5.030 3.770 1.00 0.57 O ATOM 70 CB ILE A 98 3.080 -4.593 1.046 1.00 0.65 C ATOM 71 CG1 ILE A 98 2.680 -4.841 -0.436 1.00 0.65 C ATOM 72 CG2 ILE A 98 4.460 -3.937 1.249 1.00 0.72 C ATOM 73 CD1 ILE A 98 3.789 -4.929 -1.464 1.00 0.70 C ATOM 0 H ILE A 98 0.997 -6.234 2.088 1.00 0.54 H new ATOM 0 HA ILE A 98 3.921 -6.379 1.879 1.00 0.59 H new ATOM 0 HB ILE A 98 2.292 -3.893 1.323 1.00 0.65 H new ATOM 0 HG12 ILE A 98 2.111 -5.770 -0.478 1.00 0.65 H new ATOM 0 HG13 ILE A 98 2.006 -4.040 -0.739 1.00 0.65 H new ATOM 0 HG21 ILE A 98 4.552 -3.073 0.591 1.00 0.72 H new ATOM 0 HG22 ILE A 98 4.562 -3.617 2.286 1.00 0.72 H new ATOM 0 HG23 ILE A 98 5.243 -4.657 1.013 1.00 0.72 H new ATOM 0 HD11 ILE A 98 3.358 -5.104 -2.450 1.00 0.70 H new ATOM 0 HD12 ILE A 98 4.351 -3.995 -1.474 1.00 0.70 H new ATOM 0 HD13 ILE A 98 4.457 -5.752 -1.209 1.00 0.70 H new ATOM 85 N ILE A 99 3.828 -5.067 4.163 1.00 0.62 N ATOM 86 CA ILE A 99 3.736 -4.627 5.554 1.00 0.59 C ATOM 87 C ILE A 99 4.206 -3.188 5.712 1.00 0.59 C ATOM 88 O ILE A 99 5.248 -2.808 5.193 1.00 0.67 O ATOM 89 CB ILE A 99 4.531 -5.589 6.460 1.00 0.67 C ATOM 90 CG1 ILE A 99 3.922 -7.009 6.419 1.00 0.70 C ATOM 91 CG2 ILE A 99 4.634 -5.072 7.908 1.00 0.69 C ATOM 92 CD1 ILE A 99 2.678 -7.211 7.296 1.00 0.69 C ATOM 0 H ILE A 99 4.786 -5.188 3.833 1.00 0.62 H new ATOM 0 HA ILE A 99 2.690 -4.651 5.861 1.00 0.59 H new ATOM 0 HB ILE A 99 5.547 -5.638 6.067 1.00 0.67 H new ATOM 0 HG12 ILE A 99 3.662 -7.246 5.387 1.00 0.70 H new ATOM 0 HG13 ILE A 99 4.685 -7.724 6.728 1.00 0.70 H new ATOM 0 HG21 ILE A 99 5.202 -5.782 8.508 1.00 0.69 H new ATOM 0 HG22 ILE A 99 5.139 -4.106 7.914 1.00 0.69 H new ATOM 0 HG23 ILE A 99 3.634 -4.961 8.327 1.00 0.69 H new ATOM 0 HD11 ILE A 99 2.327 -8.238 7.198 1.00 0.69 H new ATOM 0 HD12 ILE A 99 2.931 -7.012 8.337 1.00 0.69 H new ATOM 0 HD13 ILE A 99 1.892 -6.527 6.976 1.00 0.69 H new ATOM 104 N ILE A 100 3.449 -2.417 6.494 1.00 0.53 N ATOM 105 CA ILE A 100 3.822 -1.116 7.045 1.00 0.68 C ATOM 106 C ILE A 100 3.788 -1.235 8.559 1.00 0.73 C ATOM 107 O ILE A 100 2.735 -1.539 9.120 1.00 0.75 O ATOM 108 CB ILE A 100 2.841 -0.032 6.550 1.00 0.74 C ATOM 109 CG1 ILE A 100 2.829 0.016 5.005 1.00 0.78 C ATOM 110 CG2 ILE A 100 3.174 1.351 7.140 1.00 0.93 C ATOM 111 CD1 ILE A 100 4.194 0.311 4.366 1.00 0.87 C ATOM 0 H ILE A 100 2.510 -2.699 6.774 1.00 0.53 H new ATOM 0 HA ILE A 100 4.820 -0.825 6.718 1.00 0.68 H new ATOM 0 HB ILE A 100 1.844 -0.300 6.899 1.00 0.74 H new ATOM 0 HG12 ILE A 100 2.464 -0.939 4.627 1.00 0.78 H new ATOM 0 HG13 ILE A 100 2.119 0.778 4.683 1.00 0.78 H new ATOM 0 HG21 ILE A 100 2.461 2.087 6.768 1.00 0.93 H new ATOM 0 HG22 ILE A 100 3.115 1.306 8.227 1.00 0.93 H new ATOM 0 HG23 ILE A 100 4.182 1.640 6.843 1.00 0.93 H new ATOM 0 HD11 ILE A 100 4.092 0.326 3.281 1.00 0.87 H new ATOM 0 HD12 ILE A 100 4.555 1.280 4.710 1.00 0.87 H new ATOM 0 HD13 ILE A 100 4.905 -0.464 4.653 1.00 0.87 H new ATOM 123 N GLU A 101 4.937 -1.003 9.187 1.00 0.89 N ATOM 124 CA GLU A 101 5.090 -1.057 10.641 1.00 1.01 C ATOM 125 C GLU A 101 4.516 0.214 11.263 1.00 1.11 C ATOM 126 O GLU A 101 4.920 1.328 10.912 1.00 1.33 O ATOM 127 CB GLU A 101 6.555 -1.303 11.060 1.00 1.20 C ATOM 128 CG GLU A 101 6.678 -2.602 11.860 1.00 1.34 C ATOM 129 CD GLU A 101 8.099 -2.821 12.371 1.00 1.96 C ATOM 130 OE1 GLU A 101 8.935 -3.251 11.551 1.00 2.12 O ATOM 131 OE2 GLU A 101 8.311 -2.564 13.578 1.00 3.41 O ATOM 0 H GLU A 101 5.800 -0.769 8.696 1.00 0.89 H new ATOM 0 HA GLU A 101 4.527 -1.910 11.020 1.00 1.01 H new ATOM 0 HB2 GLU A 101 7.188 -1.354 10.174 1.00 1.20 H new ATOM 0 HB3 GLU A 101 6.913 -0.466 11.659 1.00 1.20 H new ATOM 0 HG2 GLU A 101 5.988 -2.576 12.704 1.00 1.34 H new ATOM 0 HG3 GLU A 101 6.383 -3.444 11.234 1.00 1.34 H new ATOM 138 N SER A 102 3.524 0.051 12.142 1.00 1.15 N ATOM 139 CA SER A 102 2.688 1.183 12.534 1.00 1.21 C ATOM 140 C SER A 102 2.593 1.468 14.034 1.00 1.38 C ATOM 141 O SER A 102 2.837 2.601 14.408 1.00 2.19 O ATOM 142 CB SER A 102 1.312 1.024 11.907 1.00 1.24 C ATOM 143 OG SER A 102 0.678 2.285 11.879 1.00 1.77 O ATOM 0 H SER A 102 3.285 -0.835 12.587 1.00 1.15 H new ATOM 0 HA SER A 102 3.193 2.070 12.151 1.00 1.21 H new ATOM 0 HB2 SER A 102 1.401 0.624 10.897 1.00 1.24 H new ATOM 0 HB3 SER A 102 0.716 0.314 12.480 1.00 1.24 H new ATOM 0 HG SER A 102 -0.123 2.261 12.443 1.00 1.77 H new ATOM 149 N TYR A 103 2.271 0.517 14.921 1.00 2.06 N ATOM 150 CA TYR A 103 2.133 0.804 16.375 1.00 1.99 C ATOM 151 C TYR A 103 0.961 1.791 16.665 1.00 1.79 C ATOM 152 O TYR A 103 0.846 2.350 17.753 1.00 1.91 O ATOM 153 CB TYR A 103 3.476 1.259 17.005 1.00 2.07 C ATOM 154 CG TYR A 103 4.646 0.306 16.801 1.00 2.24 C ATOM 155 CD1 TYR A 103 5.241 0.153 15.534 1.00 2.47 C ATOM 156 CD2 TYR A 103 5.130 -0.461 17.877 1.00 3.14 C ATOM 157 CE1 TYR A 103 6.237 -0.812 15.327 1.00 2.73 C ATOM 158 CE2 TYR A 103 6.189 -1.371 17.694 1.00 3.39 C ATOM 159 CZ TYR A 103 6.749 -1.553 16.409 1.00 2.81 C ATOM 160 OH TYR A 103 7.739 -2.465 16.201 1.00 3.16 O ATOM 0 H TYR A 103 2.100 -0.457 14.669 1.00 2.06 H new ATOM 0 HA TYR A 103 1.869 -0.132 16.866 1.00 1.99 H new ATOM 0 HB2 TYR A 103 3.743 2.230 16.589 1.00 2.07 H new ATOM 0 HB3 TYR A 103 3.327 1.401 18.075 1.00 2.07 H new ATOM 0 HD1 TYR A 103 4.928 0.784 14.715 1.00 2.47 H new ATOM 0 HD2 TYR A 103 4.684 -0.350 18.854 1.00 3.14 H new ATOM 0 HE1 TYR A 103 6.614 -0.988 14.330 1.00 2.73 H new ATOM 0 HE2 TYR A 103 6.573 -1.929 18.535 1.00 3.39 H new ATOM 0 HH TYR A 103 7.811 -2.657 15.243 1.00 3.16 H new ATOM 170 N ASP A 104 0.113 1.970 15.647 1.00 1.62 N ATOM 171 CA ASP A 104 -0.865 3.020 15.351 1.00 1.23 C ATOM 172 C ASP A 104 -1.843 2.423 14.309 1.00 1.32 C ATOM 173 O ASP A 104 -1.393 1.712 13.412 1.00 2.21 O ATOM 174 CB ASP A 104 -0.147 4.220 14.684 1.00 1.11 C ATOM 175 CG ASP A 104 0.660 5.163 15.589 1.00 1.43 C ATOM 176 OD1 ASP A 104 0.093 5.632 16.602 1.00 2.40 O ATOM 177 OD2 ASP A 104 1.796 5.530 15.186 1.00 2.18 O ATOM 0 H ASP A 104 0.097 1.275 14.901 1.00 1.62 H new ATOM 0 HA ASP A 104 -1.369 3.350 16.260 1.00 1.23 H new ATOM 0 HB2 ASP A 104 0.528 3.827 13.924 1.00 1.11 H new ATOM 0 HB3 ASP A 104 -0.899 4.815 14.166 1.00 1.11 H new ATOM 182 N ASP A 105 -3.145 2.714 14.358 1.00 1.49 N ATOM 183 CA ASP A 105 -4.200 2.167 13.463 1.00 1.68 C ATOM 184 C ASP A 105 -4.530 3.098 12.256 1.00 1.72 C ATOM 185 O ASP A 105 -5.574 2.987 11.621 1.00 2.42 O ATOM 186 CB ASP A 105 -5.443 1.852 14.331 1.00 1.76 C ATOM 187 CG ASP A 105 -6.574 1.090 13.618 1.00 3.70 C ATOM 188 OD1 ASP A 105 -6.307 0.474 12.559 1.00 4.95 O ATOM 189 OD2 ASP A 105 -7.686 1.028 14.188 1.00 4.47 O ATOM 0 H ASP A 105 -3.522 3.364 15.048 1.00 1.49 H new ATOM 0 HA ASP A 105 -3.833 1.253 12.997 1.00 1.68 H new ATOM 0 HB2 ASP A 105 -5.123 1.268 15.194 1.00 1.76 H new ATOM 0 HB3 ASP A 105 -5.845 2.790 14.712 1.00 1.76 H new ATOM 194 N TYR A 106 -3.697 4.102 11.961 1.00 1.27 N ATOM 195 CA TYR A 106 -4.141 5.299 11.203 1.00 1.55 C ATOM 196 C TYR A 106 -3.024 6.007 10.409 1.00 1.51 C ATOM 197 O TYR A 106 -3.199 7.130 9.928 1.00 2.30 O ATOM 198 CB TYR A 106 -4.900 6.252 12.163 1.00 1.67 C ATOM 199 CG TYR A 106 -4.380 6.234 13.589 1.00 1.35 C ATOM 200 CD1 TYR A 106 -3.163 6.864 13.906 1.00 2.65 C ATOM 201 CD2 TYR A 106 -5.029 5.430 14.545 1.00 1.50 C ATOM 202 CE1 TYR A 106 -2.574 6.652 15.167 1.00 2.77 C ATOM 203 CE2 TYR A 106 -4.430 5.184 15.793 1.00 1.76 C ATOM 204 CZ TYR A 106 -3.188 5.787 16.101 1.00 1.83 C ATOM 205 OH TYR A 106 -2.543 5.466 17.253 1.00 2.46 O ATOM 0 H TYR A 106 -2.713 4.119 12.230 1.00 1.27 H new ATOM 0 HA TYR A 106 -4.820 4.959 10.421 1.00 1.55 H new ATOM 0 HB2 TYR A 106 -4.834 7.269 11.776 1.00 1.67 H new ATOM 0 HB3 TYR A 106 -5.956 5.981 12.169 1.00 1.67 H new ATOM 0 HD1 TYR A 106 -2.682 7.508 13.185 1.00 2.65 H new ATOM 0 HD2 TYR A 106 -5.993 4.999 14.318 1.00 1.50 H new ATOM 0 HE1 TYR A 106 -1.651 7.152 15.421 1.00 2.77 H new ATOM 0 HE2 TYR A 106 -4.915 4.539 16.511 1.00 1.76 H new ATOM 0 HH TYR A 106 -1.575 5.547 17.120 1.00 2.46 H new ATOM 215 N ARG A 107 -1.867 5.353 10.260 1.00 0.88 N ATOM 216 CA ARG A 107 -0.694 5.932 9.577 1.00 0.81 C ATOM 217 C ARG A 107 -0.863 6.026 8.060 1.00 0.96 C ATOM 218 O ARG A 107 -1.615 5.267 7.449 1.00 1.33 O ATOM 219 CB ARG A 107 0.586 5.139 9.883 1.00 0.80 C ATOM 220 CG ARG A 107 1.172 5.511 11.246 1.00 1.33 C ATOM 221 CD ARG A 107 2.585 4.935 11.364 1.00 1.80 C ATOM 222 NE ARG A 107 3.116 5.128 12.714 1.00 2.65 N ATOM 223 CZ ARG A 107 4.266 4.687 13.192 1.00 3.65 C ATOM 224 NH1 ARG A 107 5.143 4.017 12.462 1.00 4.44 N ATOM 225 NH2 ARG A 107 4.495 4.905 14.466 1.00 4.59 N ATOM 0 H ARG A 107 -1.712 4.407 10.608 1.00 0.88 H new ATOM 0 HA ARG A 107 -0.608 6.944 9.971 1.00 0.81 H new ATOM 0 HB2 ARG A 107 0.366 4.072 9.861 1.00 0.80 H new ATOM 0 HB3 ARG A 107 1.326 5.329 9.105 1.00 0.80 H new ATOM 0 HG2 ARG A 107 1.198 6.595 11.360 1.00 1.33 H new ATOM 0 HG3 ARG A 107 0.540 5.122 12.045 1.00 1.33 H new ATOM 0 HD2 ARG A 107 2.570 3.872 11.123 1.00 1.80 H new ATOM 0 HD3 ARG A 107 3.240 5.417 10.639 1.00 1.80 H new ATOM 0 HE ARG A 107 2.533 5.663 13.358 1.00 2.65 H new ATOM 0 HH11 ARG A 107 4.945 3.819 11.481 1.00 4.44 H new ATOM 0 HH12 ARG A 107 6.017 3.698 12.880 1.00 4.44 H new ATOM 0 HH21 ARG A 107 3.801 5.393 15.033 1.00 4.59 H new ATOM 0 HH22 ARG A 107 5.367 4.587 14.889 1.00 4.59 H new ATOM 239 N TYR A 108 -0.066 6.901 7.439 1.00 0.95 N ATOM 240 CA TYR A 108 0.153 6.863 5.995 1.00 1.03 C ATOM 241 C TYR A 108 1.430 6.088 5.599 1.00 0.96 C ATOM 242 O TYR A 108 2.302 5.840 6.430 1.00 0.91 O ATOM 243 CB TYR A 108 0.061 8.269 5.379 1.00 1.19 C ATOM 244 CG TYR A 108 1.390 8.964 5.207 1.00 1.22 C ATOM 245 CD1 TYR A 108 1.941 9.694 6.274 1.00 2.24 C ATOM 246 CD2 TYR A 108 2.098 8.828 3.995 1.00 2.23 C ATOM 247 CE1 TYR A 108 3.205 10.293 6.136 1.00 2.31 C ATOM 248 CE2 TYR A 108 3.368 9.411 3.863 1.00 2.28 C ATOM 249 CZ TYR A 108 3.922 10.159 4.926 1.00 1.41 C ATOM 250 OH TYR A 108 5.141 10.745 4.787 1.00 1.56 O ATOM 0 H TYR A 108 0.439 7.646 7.919 1.00 0.95 H new ATOM 0 HA TYR A 108 -0.660 6.284 5.558 1.00 1.03 H new ATOM 0 HB2 TYR A 108 -0.425 8.195 4.406 1.00 1.19 H new ATOM 0 HB3 TYR A 108 -0.579 8.887 6.009 1.00 1.19 H new ATOM 0 HD1 TYR A 108 1.394 9.795 7.199 1.00 2.24 H new ATOM 0 HD2 TYR A 108 1.665 8.278 3.172 1.00 2.23 H new ATOM 0 HE1 TYR A 108 3.628 10.856 6.955 1.00 2.31 H new ATOM 0 HE2 TYR A 108 3.924 9.287 2.945 1.00 2.28 H new ATOM 0 HH TYR A 108 5.496 10.553 3.894 1.00 1.56 H new ATOM 260 N VAL A 109 1.504 5.722 4.319 1.00 1.06 N ATOM 261 CA VAL A 109 2.642 5.096 3.624 1.00 1.04 C ATOM 262 C VAL A 109 2.979 5.846 2.331 1.00 1.00 C ATOM 263 O VAL A 109 2.066 6.340 1.679 1.00 1.02 O ATOM 264 CB VAL A 109 2.322 3.626 3.275 1.00 1.08 C ATOM 265 CG1 VAL A 109 1.022 3.415 2.493 1.00 1.06 C ATOM 266 CG2 VAL A 109 3.447 2.984 2.459 1.00 1.14 C ATOM 0 H VAL A 109 0.714 5.864 3.689 1.00 1.06 H new ATOM 0 HA VAL A 109 3.498 5.138 4.298 1.00 1.04 H new ATOM 0 HB VAL A 109 2.211 3.155 4.251 1.00 1.08 H new ATOM 0 HG11 VAL A 109 0.885 2.352 2.295 1.00 1.06 H new ATOM 0 HG12 VAL A 109 0.181 3.787 3.078 1.00 1.06 H new ATOM 0 HG13 VAL A 109 1.074 3.956 1.548 1.00 1.06 H new ATOM 0 HG21 VAL A 109 3.187 1.950 2.232 1.00 1.14 H new ATOM 0 HG22 VAL A 109 3.583 3.537 1.529 1.00 1.14 H new ATOM 0 HG23 VAL A 109 4.373 3.008 3.034 1.00 1.14 H new ATOM 276 N GLY A 110 4.260 5.871 1.940 1.00 1.02 N ATOM 277 CA GLY A 110 4.713 6.298 0.606 1.00 1.05 C ATOM 278 C GLY A 110 5.043 5.128 -0.337 1.00 0.81 C ATOM 279 O GLY A 110 6.089 4.506 -0.164 1.00 1.05 O ATOM 0 H GLY A 110 5.026 5.590 2.552 1.00 1.02 H new ATOM 0 HA2 GLY A 110 3.939 6.915 0.149 1.00 1.05 H new ATOM 0 HA3 GLY A 110 5.597 6.926 0.716 1.00 1.05 H new ATOM 283 N CYS A 111 4.206 4.893 -1.360 1.00 0.55 N ATOM 284 CA CYS A 111 4.445 3.951 -2.463 1.00 0.48 C ATOM 285 C CYS A 111 4.747 4.634 -3.820 1.00 0.56 C ATOM 286 O CYS A 111 4.049 5.576 -4.223 1.00 0.56 O ATOM 287 CB CYS A 111 3.192 3.085 -2.622 1.00 0.61 C ATOM 288 SG CYS A 111 3.187 2.116 -4.183 1.00 1.18 S ATOM 0 H CYS A 111 3.310 5.373 -1.444 1.00 0.55 H new ATOM 0 HA CYS A 111 5.330 3.370 -2.204 1.00 0.48 H new ATOM 0 HB2 CYS A 111 3.119 2.402 -1.776 1.00 0.61 H new ATOM 0 HB3 CYS A 111 2.309 3.723 -2.594 1.00 0.61 H new ATOM 0 HG CYS A 111 2.100 1.407 -4.250 1.00 1.18 H new ATOM 293 N THR A 112 5.706 4.081 -4.580 1.00 0.70 N ATOM 294 CA THR A 112 6.105 4.579 -5.911 1.00 0.69 C ATOM 295 C THR A 112 5.825 3.687 -7.123 1.00 0.65 C ATOM 296 O THR A 112 6.284 3.991 -8.226 1.00 0.71 O ATOM 297 CB THR A 112 7.579 4.988 -5.929 1.00 0.96 C ATOM 298 OG1 THR A 112 8.361 4.005 -5.292 1.00 1.07 O ATOM 299 CG2 THR A 112 7.796 6.329 -5.252 1.00 1.07 C ATOM 0 H THR A 112 6.236 3.261 -4.284 1.00 0.70 H new ATOM 0 HA THR A 112 5.438 5.432 -6.039 1.00 0.69 H new ATOM 0 HB THR A 112 7.883 5.082 -6.972 1.00 0.96 H new ATOM 0 HG1 THR A 112 8.834 3.475 -5.967 1.00 1.07 H new ATOM 0 HG21 THR A 112 8.855 6.586 -5.284 1.00 1.07 H new ATOM 0 HG22 THR A 112 7.220 7.096 -5.771 1.00 1.07 H new ATOM 0 HG23 THR A 112 7.469 6.270 -4.214 1.00 1.07 H new ATOM 307 N GLY A 113 5.118 2.564 -6.982 1.00 0.76 N ATOM 308 CA GLY A 113 4.893 1.637 -8.113 1.00 0.92 C ATOM 309 C GLY A 113 5.976 0.565 -8.233 1.00 1.46 C ATOM 310 O GLY A 113 5.789 -0.491 -8.824 1.00 2.25 O ATOM 0 H GLY A 113 4.690 2.268 -6.105 1.00 0.76 H new ATOM 0 HA2 GLY A 113 3.923 1.154 -7.992 1.00 0.92 H new ATOM 0 HA3 GLY A 113 4.851 2.208 -9.040 1.00 0.92 H new ATOM 314 N SER A 114 7.140 0.876 -7.677 1.00 2.00 N ATOM 315 CA SER A 114 8.429 0.205 -7.860 1.00 2.68 C ATOM 316 C SER A 114 9.508 1.030 -7.137 1.00 2.44 C ATOM 317 O SER A 114 9.343 2.256 -7.059 1.00 2.39 O ATOM 318 CB SER A 114 8.738 0.122 -9.363 1.00 3.54 C ATOM 319 OG SER A 114 10.082 -0.217 -9.654 1.00 4.52 O ATOM 0 H SER A 114 7.218 1.665 -7.035 1.00 2.00 H new ATOM 0 HA SER A 114 8.405 -0.804 -7.449 1.00 2.68 H new ATOM 0 HB2 SER A 114 8.080 -0.618 -9.819 1.00 3.54 H new ATOM 0 HB3 SER A 114 8.507 1.082 -9.825 1.00 3.54 H new ATOM 0 HG SER A 114 10.207 -0.254 -10.625 1.00 4.52 H new ATOM 325 N PRO A 115 10.614 0.424 -6.655 1.00 2.54 N ATOM 326 CA PRO A 115 11.778 1.170 -6.177 1.00 2.63 C ATOM 327 C PRO A 115 12.399 2.048 -7.272 1.00 2.66 C ATOM 328 O PRO A 115 13.041 3.042 -6.952 1.00 3.16 O ATOM 329 CB PRO A 115 12.776 0.112 -5.691 1.00 3.07 C ATOM 330 CG PRO A 115 12.388 -1.146 -6.467 1.00 3.26 C ATOM 331 CD PRO A 115 10.874 -1.009 -6.601 1.00 2.88 C ATOM 0 HA PRO A 115 11.493 1.860 -5.383 1.00 2.63 H new ATOM 0 HB2 PRO A 115 13.804 0.408 -5.899 1.00 3.07 H new ATOM 0 HB3 PRO A 115 12.700 -0.044 -4.615 1.00 3.07 H new ATOM 0 HG2 PRO A 115 12.878 -1.188 -7.440 1.00 3.26 H new ATOM 0 HG3 PRO A 115 12.666 -2.053 -5.931 1.00 3.26 H new ATOM 0 HD2 PRO A 115 10.513 -1.507 -7.501 1.00 2.88 H new ATOM 0 HD3 PRO A 115 10.362 -1.469 -5.755 1.00 2.88 H new ATOM 339 N ALA A 116 12.186 1.712 -8.550 1.00 2.54 N ATOM 340 CA ALA A 116 12.621 2.508 -9.697 1.00 2.72 C ATOM 341 C ALA A 116 11.585 3.559 -10.153 1.00 2.39 C ATOM 342 O ALA A 116 11.755 4.151 -11.214 1.00 2.89 O ATOM 343 CB ALA A 116 13.015 1.530 -10.812 1.00 3.16 C ATOM 0 H ALA A 116 11.695 0.859 -8.818 1.00 2.54 H new ATOM 0 HA ALA A 116 13.481 3.114 -9.410 1.00 2.72 H new ATOM 0 HB1 ALA A 116 13.346 2.090 -11.687 1.00 3.16 H new ATOM 0 HB2 ALA A 116 13.825 0.889 -10.464 1.00 3.16 H new ATOM 0 HB3 ALA A 116 12.155 0.916 -11.078 1.00 3.16 H new ATOM 349 N GLY A 117 10.514 3.782 -9.374 1.00 1.79 N ATOM 350 CA GLY A 117 9.562 4.883 -9.580 1.00 1.59 C ATOM 351 C GLY A 117 8.630 4.672 -10.769 1.00 1.61 C ATOM 352 O GLY A 117 8.671 5.445 -11.716 1.00 2.27 O ATOM 0 H GLY A 117 10.283 3.194 -8.573 1.00 1.79 H new ATOM 0 HA2 GLY A 117 8.963 5.008 -8.678 1.00 1.59 H new ATOM 0 HA3 GLY A 117 10.117 5.810 -9.725 1.00 1.59 H new ATOM 356 N SER A 118 7.792 3.634 -10.743 1.00 1.17 N ATOM 357 CA SER A 118 6.977 3.276 -11.918 1.00 1.21 C ATOM 358 C SER A 118 5.830 4.234 -12.222 1.00 1.15 C ATOM 359 O SER A 118 5.548 4.419 -13.400 1.00 1.34 O ATOM 360 CB SER A 118 6.427 1.847 -11.832 1.00 1.25 C ATOM 361 OG SER A 118 7.452 0.895 -12.056 1.00 1.70 O ATOM 0 H SER A 118 7.656 3.029 -9.933 1.00 1.17 H new ATOM 0 HA SER A 118 7.683 3.353 -12.745 1.00 1.21 H new ATOM 0 HB2 SER A 118 5.982 1.683 -10.851 1.00 1.25 H new ATOM 0 HB3 SER A 118 5.634 1.713 -12.568 1.00 1.25 H new ATOM 0 HG SER A 118 7.078 -0.009 -11.995 1.00 1.70 H new ATOM 367 N HIS A 119 5.177 4.835 -11.219 1.00 0.97 N ATOM 368 CA HIS A 119 4.122 5.827 -11.513 1.00 1.00 C ATOM 369 C HIS A 119 4.482 7.301 -11.232 1.00 1.23 C ATOM 370 O HIS A 119 4.278 8.183 -12.062 1.00 2.83 O ATOM 371 CB HIS A 119 2.831 5.413 -10.807 1.00 0.79 C ATOM 372 CG HIS A 119 2.857 5.065 -9.324 1.00 0.49 C ATOM 373 ND1 HIS A 119 2.821 5.939 -8.274 1.00 0.41 N ATOM 374 CD2 HIS A 119 2.645 3.808 -8.839 1.00 0.47 C ATOM 375 CE1 HIS A 119 2.622 5.261 -7.133 1.00 0.41 C ATOM 376 NE2 HIS A 119 2.500 3.960 -7.448 1.00 0.38 N ATOM 0 H HIS A 119 5.348 4.664 -10.228 1.00 0.97 H new ATOM 0 HA HIS A 119 3.990 5.810 -12.595 1.00 1.00 H new ATOM 0 HB2 HIS A 119 2.114 6.224 -10.938 1.00 0.79 H new ATOM 0 HB3 HIS A 119 2.434 4.547 -11.337 1.00 0.79 H new ATOM 0 HD2 HIS A 119 2.598 2.889 -9.404 1.00 0.47 H new ATOM 0 HE1 HIS A 119 2.569 5.684 -6.141 1.00 0.41 H new ATOM 0 HE2 HIS A 119 2.330 3.204 -6.785 1.00 0.38 H new ATOM 384 N THR A 120 4.997 7.526 -10.025 1.00 0.91 N ATOM 385 CA THR A 120 5.105 8.727 -9.186 1.00 0.84 C ATOM 386 C THR A 120 5.245 8.219 -7.764 1.00 0.88 C ATOM 387 O THR A 120 5.564 7.054 -7.583 1.00 0.90 O ATOM 388 CB THR A 120 3.962 9.711 -9.420 1.00 0.87 C ATOM 389 OG1 THR A 120 4.288 10.903 -8.757 1.00 0.89 O ATOM 390 CG2 THR A 120 2.594 9.248 -8.937 1.00 0.92 C ATOM 0 H THR A 120 5.418 6.739 -9.531 1.00 0.91 H new ATOM 0 HA THR A 120 5.975 9.332 -9.440 1.00 0.84 H new ATOM 0 HB THR A 120 3.867 9.824 -10.500 1.00 0.87 H new ATOM 0 HG1 THR A 120 3.571 11.558 -8.890 1.00 0.89 H new ATOM 0 HG21 THR A 120 1.853 10.018 -9.150 1.00 0.92 H new ATOM 0 HG22 THR A 120 2.319 8.327 -9.452 1.00 0.92 H new ATOM 0 HG23 THR A 120 2.630 9.066 -7.863 1.00 0.92 H new ATOM 398 N ILE A 121 4.964 9.037 -6.767 1.00 0.97 N ATOM 399 CA ILE A 121 4.826 8.703 -5.355 1.00 1.05 C ATOM 400 C ILE A 121 3.438 9.048 -4.837 1.00 1.06 C ATOM 401 O ILE A 121 2.892 10.094 -5.160 1.00 1.20 O ATOM 402 CB ILE A 121 5.906 9.446 -4.556 1.00 1.28 C ATOM 403 CG1 ILE A 121 5.715 9.263 -3.045 1.00 1.23 C ATOM 404 CG2 ILE A 121 5.884 10.954 -4.784 1.00 1.50 C ATOM 405 CD1 ILE A 121 6.082 7.887 -2.551 1.00 1.13 C ATOM 0 H ILE A 121 4.814 10.032 -6.933 1.00 0.97 H new ATOM 0 HA ILE A 121 4.957 7.628 -5.232 1.00 1.05 H new ATOM 0 HB ILE A 121 6.844 9.017 -4.907 1.00 1.28 H new ATOM 0 HG12 ILE A 121 6.320 10.002 -2.519 1.00 1.23 H new ATOM 0 HG13 ILE A 121 4.674 9.465 -2.792 1.00 1.23 H new ATOM 0 HG21 ILE A 121 6.670 11.423 -4.192 1.00 1.50 H new ATOM 0 HG22 ILE A 121 6.050 11.165 -5.840 1.00 1.50 H new ATOM 0 HG23 ILE A 121 4.916 11.353 -4.482 1.00 1.50 H new ATOM 0 HD11 ILE A 121 5.921 7.832 -1.474 1.00 1.13 H new ATOM 0 HD12 ILE A 121 5.460 7.144 -3.049 1.00 1.13 H new ATOM 0 HD13 ILE A 121 7.131 7.689 -2.772 1.00 1.13 H new ATOM 417 N MET A 122 2.907 8.171 -3.985 1.00 0.99 N ATOM 418 CA MET A 122 1.571 8.270 -3.437 1.00 1.01 C ATOM 419 C MET A 122 1.464 7.950 -1.960 1.00 0.97 C ATOM 420 O MET A 122 2.210 7.138 -1.420 1.00 0.96 O ATOM 421 CB MET A 122 0.762 7.252 -4.201 1.00 1.07 C ATOM 422 CG MET A 122 0.757 7.569 -5.667 1.00 1.39 C ATOM 423 SD MET A 122 0.092 9.061 -6.472 1.00 3.67 S ATOM 424 CE MET A 122 -0.445 10.230 -5.194 1.00 4.65 C ATOM 0 H MET A 122 3.416 7.352 -3.653 1.00 0.99 H new ATOM 0 HA MET A 122 1.230 9.301 -3.534 1.00 1.01 H new ATOM 0 HB2 MET A 122 1.176 6.257 -4.041 1.00 1.07 H new ATOM 0 HB3 MET A 122 -0.261 7.236 -3.824 1.00 1.07 H new ATOM 0 HG2 MET A 122 1.801 7.516 -5.976 1.00 1.39 H new ATOM 0 HG3 MET A 122 0.242 6.733 -6.140 1.00 1.39 H new ATOM 0 HE1 MET A 122 -1.251 10.852 -5.585 1.00 4.65 H new ATOM 0 HE2 MET A 122 -0.801 9.679 -4.324 1.00 4.65 H new ATOM 0 HE3 MET A 122 0.394 10.863 -4.904 1.00 4.65 H new ATOM 434 N TRP A 123 0.458 8.564 -1.348 1.00 1.05 N ATOM 435 CA TRP A 123 0.264 8.559 0.106 1.00 1.06 C ATOM 436 C TRP A 123 -0.970 7.731 0.486 1.00 1.06 C ATOM 437 O TRP A 123 -2.103 8.197 0.353 1.00 1.15 O ATOM 438 CB TRP A 123 0.209 9.990 0.666 1.00 1.10 C ATOM 439 CG TRP A 123 1.162 10.980 0.065 1.00 1.20 C ATOM 440 CD1 TRP A 123 0.811 12.152 -0.512 1.00 1.46 C ATOM 441 CD2 TRP A 123 2.621 10.919 -0.023 1.00 1.29 C ATOM 442 NE1 TRP A 123 1.941 12.821 -0.932 1.00 1.54 N ATOM 443 CE2 TRP A 123 3.089 12.123 -0.629 1.00 1.39 C ATOM 444 CE3 TRP A 123 3.598 9.974 0.356 1.00 1.59 C ATOM 445 CZ2 TRP A 123 4.454 12.394 -0.808 1.00 1.54 C ATOM 446 CZ3 TRP A 123 4.972 10.238 0.191 1.00 1.87 C ATOM 447 CH2 TRP A 123 5.401 11.449 -0.379 1.00 1.76 C ATOM 0 H TRP A 123 -0.258 9.088 -1.851 1.00 1.05 H new ATOM 0 HA TRP A 123 1.127 8.079 0.568 1.00 1.06 H new ATOM 0 HB2 TRP A 123 -0.805 10.369 0.535 1.00 1.10 H new ATOM 0 HB3 TRP A 123 0.396 9.944 1.739 1.00 1.10 H new ATOM 0 HD1 TRP A 123 -0.202 12.510 -0.626 1.00 1.46 H new ATOM 0 HE1 TRP A 123 1.928 13.723 -1.409 1.00 1.54 H new ATOM 0 HE3 TRP A 123 3.287 9.031 0.780 1.00 1.59 H new ATOM 0 HZ2 TRP A 123 4.773 13.317 -1.270 1.00 1.54 H new ATOM 0 HZ3 TRP A 123 5.701 9.505 0.505 1.00 1.87 H new ATOM 0 HH2 TRP A 123 6.456 11.653 -0.487 1.00 1.76 H new ATOM 458 N LEU A 124 -0.767 6.485 0.923 1.00 1.06 N ATOM 459 CA LEU A 124 -1.862 5.540 1.187 1.00 1.09 C ATOM 460 C LEU A 124 -2.016 5.386 2.700 1.00 1.07 C ATOM 461 O LEU A 124 -1.153 5.855 3.436 1.00 1.07 O ATOM 462 CB LEU A 124 -1.620 4.195 0.459 1.00 1.18 C ATOM 463 CG LEU A 124 -0.801 4.291 -0.850 1.00 1.27 C ATOM 464 CD1 LEU A 124 -0.454 2.907 -1.379 1.00 1.32 C ATOM 465 CD2 LEU A 124 -1.581 5.074 -1.911 1.00 1.37 C ATOM 0 H LEU A 124 0.160 6.100 1.105 1.00 1.06 H new ATOM 0 HA LEU A 124 -2.801 5.923 0.788 1.00 1.09 H new ATOM 0 HB2 LEU A 124 -1.106 3.519 1.142 1.00 1.18 H new ATOM 0 HB3 LEU A 124 -2.586 3.745 0.232 1.00 1.18 H new ATOM 0 HG LEU A 124 0.127 4.818 -0.628 1.00 1.27 H new ATOM 0 HD11 LEU A 124 0.122 3.003 -2.300 1.00 1.32 H new ATOM 0 HD12 LEU A 124 0.137 2.371 -0.636 1.00 1.32 H new ATOM 0 HD13 LEU A 124 -1.371 2.354 -1.581 1.00 1.32 H new ATOM 0 HD21 LEU A 124 -0.992 5.133 -2.826 1.00 1.37 H new ATOM 0 HD22 LEU A 124 -2.523 4.567 -2.118 1.00 1.37 H new ATOM 0 HD23 LEU A 124 -1.784 6.080 -1.545 1.00 1.37 H new ATOM 477 N LYS A 125 -3.077 4.740 3.183 1.00 1.16 N ATOM 478 CA LYS A 125 -3.290 4.528 4.624 1.00 1.19 C ATOM 479 C LYS A 125 -4.104 3.248 4.895 1.00 0.85 C ATOM 480 O LYS A 125 -5.317 3.274 4.688 1.00 1.04 O ATOM 481 CB LYS A 125 -3.902 5.782 5.293 1.00 1.65 C ATOM 482 CG LYS A 125 -5.150 6.400 4.636 1.00 1.92 C ATOM 483 CD LYS A 125 -4.819 7.622 3.762 1.00 3.88 C ATOM 484 CE LYS A 125 -6.075 8.221 3.108 1.00 5.00 C ATOM 485 NZ LYS A 125 -7.051 8.719 4.110 1.00 5.68 N ATOM 0 H LYS A 125 -3.812 4.349 2.594 1.00 1.16 H new ATOM 0 HA LYS A 125 -2.316 4.373 5.088 1.00 1.19 H new ATOM 0 HB2 LYS A 125 -4.156 5.525 6.321 1.00 1.65 H new ATOM 0 HB3 LYS A 125 -3.130 6.550 5.338 1.00 1.65 H new ATOM 0 HG2 LYS A 125 -5.645 5.645 4.025 1.00 1.92 H new ATOM 0 HG3 LYS A 125 -5.856 6.695 5.413 1.00 1.92 H new ATOM 0 HD2 LYS A 125 -4.331 8.382 4.372 1.00 3.88 H new ATOM 0 HD3 LYS A 125 -4.110 7.332 2.987 1.00 3.88 H new ATOM 0 HE2 LYS A 125 -5.784 9.040 2.450 1.00 5.00 H new ATOM 0 HE3 LYS A 125 -6.552 7.465 2.484 1.00 5.00 H new ATOM 0 HZ1 LYS A 125 -7.814 9.233 3.625 1.00 5.68 H new ATOM 0 HZ2 LYS A 125 -7.453 7.915 4.633 1.00 5.68 H new ATOM 0 HZ3 LYS A 125 -6.571 9.359 4.775 1.00 5.68 H new ATOM 499 N PRO A 126 -3.457 2.130 5.278 1.00 0.59 N ATOM 500 CA PRO A 126 -4.141 0.934 5.754 1.00 0.64 C ATOM 501 C PRO A 126 -4.508 1.079 7.237 1.00 0.98 C ATOM 502 O PRO A 126 -4.113 2.041 7.896 1.00 2.28 O ATOM 503 CB PRO A 126 -3.156 -0.207 5.486 1.00 0.83 C ATOM 504 CG PRO A 126 -1.801 0.461 5.708 1.00 0.82 C ATOM 505 CD PRO A 126 -2.018 1.890 5.210 1.00 0.75 C ATOM 0 HA PRO A 126 -5.089 0.750 5.249 1.00 0.64 H new ATOM 0 HB2 PRO A 126 -3.311 -1.044 6.167 1.00 0.83 H new ATOM 0 HB3 PRO A 126 -3.254 -0.597 4.473 1.00 0.83 H new ATOM 0 HG2 PRO A 126 -1.512 0.442 6.759 1.00 0.82 H new ATOM 0 HG3 PRO A 126 -1.010 -0.042 5.151 1.00 0.82 H new ATOM 0 HD2 PRO A 126 -1.474 2.605 5.828 1.00 0.75 H new ATOM 0 HD3 PRO A 126 -1.651 2.007 4.190 1.00 0.75 H new ATOM 513 N THR A 127 -5.249 0.089 7.736 1.00 0.67 N ATOM 514 CA THR A 127 -5.901 0.041 9.052 1.00 0.87 C ATOM 515 C THR A 127 -5.650 -1.347 9.641 1.00 0.89 C ATOM 516 O THR A 127 -5.627 -2.329 8.896 1.00 0.82 O ATOM 517 CB THR A 127 -7.424 0.286 8.911 1.00 1.15 C ATOM 518 OG1 THR A 127 -7.804 0.671 7.604 1.00 1.81 O ATOM 519 CG2 THR A 127 -7.929 1.387 9.837 1.00 1.65 C ATOM 0 H THR A 127 -5.423 -0.760 7.198 1.00 0.67 H new ATOM 0 HA THR A 127 -5.495 0.816 9.702 1.00 0.87 H new ATOM 0 HB THR A 127 -7.865 -0.676 9.171 1.00 1.15 H new ATOM 0 HG1 THR A 127 -8.782 0.671 7.534 1.00 1.81 H new ATOM 0 HG21 THR A 127 -9.002 1.517 9.697 1.00 1.65 H new ATOM 0 HG22 THR A 127 -7.729 1.112 10.873 1.00 1.65 H new ATOM 0 HG23 THR A 127 -7.417 2.321 9.605 1.00 1.65 H new ATOM 527 N VAL A 128 -5.460 -1.483 10.952 1.00 0.99 N ATOM 528 CA VAL A 128 -5.084 -2.769 11.594 1.00 0.95 C ATOM 529 C VAL A 128 -6.147 -3.852 11.363 1.00 0.96 C ATOM 530 O VAL A 128 -5.830 -5.024 11.157 1.00 1.02 O ATOM 531 CB VAL A 128 -4.783 -2.639 13.104 1.00 0.99 C ATOM 532 CG1 VAL A 128 -5.961 -2.099 13.912 1.00 0.97 C ATOM 533 CG2 VAL A 128 -4.248 -3.962 13.688 1.00 1.02 C ATOM 0 H VAL A 128 -5.559 -0.711 11.612 1.00 0.99 H new ATOM 0 HA VAL A 128 -4.157 -3.071 11.107 1.00 0.95 H new ATOM 0 HB VAL A 128 -3.996 -1.891 13.192 1.00 0.99 H new ATOM 0 HG11 VAL A 128 -5.681 -2.033 14.963 1.00 0.97 H new ATOM 0 HG12 VAL A 128 -6.230 -1.108 13.545 1.00 0.97 H new ATOM 0 HG13 VAL A 128 -6.814 -2.770 13.805 1.00 0.97 H new ATOM 0 HG21 VAL A 128 -4.047 -3.835 14.752 1.00 1.02 H new ATOM 0 HG22 VAL A 128 -4.991 -4.747 13.550 1.00 1.02 H new ATOM 0 HG23 VAL A 128 -3.327 -4.240 13.175 1.00 1.02 H new ATOM 543 N ASN A 129 -7.407 -3.425 11.316 1.00 0.98 N ATOM 544 CA ASN A 129 -8.591 -4.234 11.058 1.00 1.10 C ATOM 545 C ASN A 129 -8.605 -4.846 9.636 1.00 1.05 C ATOM 546 O ASN A 129 -9.297 -5.832 9.396 1.00 1.22 O ATOM 547 CB ASN A 129 -9.799 -3.308 11.303 1.00 1.37 C ATOM 548 CG ASN A 129 -9.837 -2.784 12.738 1.00 1.77 C ATOM 549 OD1 ASN A 129 -10.098 -3.528 13.671 1.00 1.89 O ATOM 550 ND2 ASN A 129 -9.529 -1.517 12.957 1.00 2.32 N ATOM 0 H ASN A 129 -7.640 -2.444 11.467 1.00 0.98 H new ATOM 0 HA ASN A 129 -8.614 -5.099 11.721 1.00 1.10 H new ATOM 0 HB2 ASN A 129 -9.757 -2.467 10.611 1.00 1.37 H new ATOM 0 HB3 ASN A 129 -10.720 -3.850 11.091 1.00 1.37 H new ATOM 0 HD21 ASN A 129 -9.508 -1.155 13.910 1.00 2.32 H new ATOM 0 HD22 ASN A 129 -9.312 -0.902 12.173 1.00 2.32 H new ATOM 557 N GLU A 130 -7.845 -4.273 8.695 1.00 1.00 N ATOM 558 CA GLU A 130 -8.070 -4.375 7.260 1.00 1.18 C ATOM 559 C GLU A 130 -6.797 -4.003 6.460 1.00 0.69 C ATOM 560 O GLU A 130 -5.708 -4.457 6.793 1.00 0.76 O ATOM 561 CB GLU A 130 -9.321 -3.568 6.885 1.00 2.01 C ATOM 562 CG GLU A 130 -9.223 -2.135 7.361 1.00 1.26 C ATOM 563 CD GLU A 130 -10.443 -1.264 7.098 1.00 1.57 C ATOM 564 OE1 GLU A 130 -11.441 -1.782 6.558 1.00 2.59 O ATOM 565 OE2 GLU A 130 -10.324 -0.065 7.441 1.00 1.83 O ATOM 0 H GLU A 130 -7.029 -3.707 8.927 1.00 1.00 H new ATOM 0 HA GLU A 130 -8.270 -5.410 6.982 1.00 1.18 H new ATOM 0 HB2 GLU A 130 -9.454 -3.584 5.803 1.00 2.01 H new ATOM 0 HB3 GLU A 130 -10.202 -4.038 7.322 1.00 2.01 H new ATOM 0 HG2 GLU A 130 -9.029 -2.141 8.434 1.00 1.26 H new ATOM 0 HG3 GLU A 130 -8.360 -1.672 6.883 1.00 1.26 H new ATOM 572 N VAL A 131 -6.903 -3.237 5.375 1.00 0.41 N ATOM 573 CA VAL A 131 -5.934 -3.129 4.271 1.00 0.39 C ATOM 574 C VAL A 131 -6.097 -1.778 3.542 1.00 0.49 C ATOM 575 O VAL A 131 -7.101 -1.101 3.747 1.00 0.61 O ATOM 576 CB VAL A 131 -6.144 -4.270 3.251 1.00 0.35 C ATOM 577 CG1 VAL A 131 -5.728 -5.646 3.756 1.00 0.42 C ATOM 578 CG2 VAL A 131 -7.591 -4.324 2.739 1.00 0.41 C ATOM 0 H VAL A 131 -7.715 -2.637 5.229 1.00 0.41 H new ATOM 0 HA VAL A 131 -4.933 -3.199 4.697 1.00 0.39 H new ATOM 0 HB VAL A 131 -5.476 -4.020 2.427 1.00 0.35 H new ATOM 0 HG11 VAL A 131 -5.908 -6.389 2.979 1.00 0.42 H new ATOM 0 HG12 VAL A 131 -4.668 -5.636 4.009 1.00 0.42 H new ATOM 0 HG13 VAL A 131 -6.310 -5.900 4.642 1.00 0.42 H new ATOM 0 HG21 VAL A 131 -7.694 -5.141 2.024 1.00 0.41 H new ATOM 0 HG22 VAL A 131 -8.268 -4.488 3.578 1.00 0.41 H new ATOM 0 HG23 VAL A 131 -7.840 -3.381 2.251 1.00 0.41 H new ATOM 588 N ALA A 132 -5.177 -1.415 2.637 1.00 0.47 N ATOM 589 CA ALA A 132 -5.355 -0.314 1.674 1.00 0.51 C ATOM 590 C ALA A 132 -4.796 -0.703 0.301 1.00 0.49 C ATOM 591 O ALA A 132 -3.745 -1.322 0.241 1.00 0.55 O ATOM 592 CB ALA A 132 -4.649 0.940 2.190 1.00 0.64 C ATOM 0 H ALA A 132 -4.275 -1.883 2.551 1.00 0.47 H new ATOM 0 HA ALA A 132 -6.421 -0.111 1.567 1.00 0.51 H new ATOM 0 HB1 ALA A 132 -4.782 1.753 1.476 1.00 0.64 H new ATOM 0 HB2 ALA A 132 -5.075 1.228 3.151 1.00 0.64 H new ATOM 0 HB3 ALA A 132 -3.585 0.735 2.312 1.00 0.64 H new ATOM 598 N ARG A 133 -5.441 -0.290 -0.794 1.00 0.52 N ATOM 599 CA ARG A 133 -4.868 -0.374 -2.141 1.00 0.52 C ATOM 600 C ARG A 133 -4.259 0.985 -2.396 1.00 0.80 C ATOM 601 O ARG A 133 -4.873 2.007 -2.068 1.00 1.03 O ATOM 602 CB ARG A 133 -5.897 -0.709 -3.246 1.00 0.63 C ATOM 603 CG ARG A 133 -5.238 -1.206 -4.566 1.00 0.76 C ATOM 604 CD ARG A 133 -6.160 -0.967 -5.782 1.00 1.25 C ATOM 605 NE ARG A 133 -5.650 -1.481 -7.082 1.00 2.27 N ATOM 606 CZ ARG A 133 -5.104 -0.797 -8.100 1.00 3.75 C ATOM 607 NH1 ARG A 133 -4.764 0.467 -8.023 1.00 4.70 N ATOM 608 NH2 ARG A 133 -4.834 -1.403 -9.237 1.00 5.01 N ATOM 0 H ARG A 133 -6.378 0.113 -0.771 1.00 0.52 H new ATOM 0 HA ARG A 133 -4.147 -1.191 -2.180 1.00 0.52 H new ATOM 0 HB2 ARG A 133 -6.580 -1.474 -2.878 1.00 0.63 H new ATOM 0 HB3 ARG A 133 -6.495 0.177 -3.457 1.00 0.63 H new ATOM 0 HG2 ARG A 133 -4.291 -0.689 -4.719 1.00 0.76 H new ATOM 0 HG3 ARG A 133 -5.011 -2.269 -4.483 1.00 0.76 H new ATOM 0 HD2 ARG A 133 -7.125 -1.431 -5.581 1.00 1.25 H new ATOM 0 HD3 ARG A 133 -6.335 0.104 -5.878 1.00 1.25 H new ATOM 0 HE ARG A 133 -5.725 -2.489 -7.218 1.00 2.27 H new ATOM 0 HH11 ARG A 133 -4.911 0.983 -7.155 1.00 4.70 H new ATOM 0 HH12 ARG A 133 -4.353 0.935 -8.831 1.00 4.70 H new ATOM 0 HH21 ARG A 133 -5.040 -2.396 -9.347 1.00 5.01 H new ATOM 0 HH22 ARG A 133 -4.419 -0.880 -10.008 1.00 5.01 H new ATOM 622 N CYS A 134 -3.099 0.984 -3.029 1.00 0.87 N ATOM 623 CA CYS A 134 -2.702 2.108 -3.832 1.00 0.91 C ATOM 624 C CYS A 134 -3.814 2.457 -4.835 1.00 1.05 C ATOM 625 O CYS A 134 -4.364 1.595 -5.523 1.00 1.18 O ATOM 626 CB CYS A 134 -1.375 1.684 -4.439 1.00 0.73 C ATOM 627 SG CYS A 134 -0.446 3.029 -5.232 1.00 0.94 S ATOM 0 H CYS A 134 -2.425 0.219 -2.998 1.00 0.87 H new ATOM 0 HA CYS A 134 -2.561 3.038 -3.282 1.00 0.91 H new ATOM 0 HB2 CYS A 134 -0.756 1.244 -3.657 1.00 0.73 H new ATOM 0 HB3 CYS A 134 -1.560 0.903 -5.177 1.00 0.73 H new ATOM 0 HG CYS A 134 0.822 2.887 -4.982 1.00 0.94 H new ATOM 632 N TRP A 135 -4.169 3.736 -4.920 1.00 1.46 N ATOM 633 CA TRP A 135 -5.024 4.210 -6.000 1.00 1.71 C ATOM 634 C TRP A 135 -4.307 4.081 -7.356 1.00 1.55 C ATOM 635 O TRP A 135 -4.975 4.029 -8.383 1.00 1.76 O ATOM 636 CB TRP A 135 -5.447 5.651 -5.702 1.00 1.90 C ATOM 637 CG TRP A 135 -4.445 6.704 -6.054 1.00 1.55 C ATOM 638 CD1 TRP A 135 -3.420 7.143 -5.288 1.00 1.51 C ATOM 639 CD2 TRP A 135 -4.268 7.355 -7.352 1.00 1.37 C ATOM 640 NE1 TRP A 135 -2.776 8.163 -5.957 1.00 1.37 N ATOM 641 CE2 TRP A 135 -3.216 8.304 -7.249 1.00 1.17 C ATOM 642 CE3 TRP A 135 -4.818 7.156 -8.634 1.00 1.55 C ATOM 643 CZ2 TRP A 135 -2.758 9.055 -8.343 1.00 1.09 C ATOM 644 CZ3 TRP A 135 -4.282 7.810 -9.755 1.00 1.47 C ATOM 645 CH2 TRP A 135 -3.270 8.773 -9.617 1.00 1.21 C ATOM 0 H TRP A 135 -3.880 4.457 -4.259 1.00 1.46 H new ATOM 0 HA TRP A 135 -5.922 3.595 -6.064 1.00 1.71 H new ATOM 0 HB2 TRP A 135 -6.371 5.859 -6.242 1.00 1.90 H new ATOM 0 HB3 TRP A 135 -5.674 5.732 -4.639 1.00 1.90 H new ATOM 0 HD1 TRP A 135 -3.151 6.759 -4.315 1.00 1.51 H new ATOM 0 HE1 TRP A 135 -2.053 8.748 -5.538 1.00 1.37 H new ATOM 0 HE3 TRP A 135 -5.662 6.493 -8.756 1.00 1.55 H new ATOM 0 HZ2 TRP A 135 -2.025 9.836 -8.206 1.00 1.09 H new ATOM 0 HZ3 TRP A 135 -4.654 7.568 -10.739 1.00 1.47 H new ATOM 0 HH2 TRP A 135 -2.889 9.292 -10.484 1.00 1.21 H new ATOM 656 N GLU A 136 -2.972 3.992 -7.328 1.00 1.28 N ATOM 657 CA GLU A 136 -2.078 4.015 -8.472 1.00 1.22 C ATOM 658 C GLU A 136 -1.898 2.566 -9.009 1.00 1.36 C ATOM 659 O GLU A 136 -2.865 1.977 -9.500 1.00 2.06 O ATOM 660 CB GLU A 136 -0.796 4.747 -8.030 1.00 1.05 C ATOM 661 CG GLU A 136 -0.669 6.113 -8.694 1.00 0.71 C ATOM 662 CD GLU A 136 -0.307 6.021 -10.161 1.00 1.22 C ATOM 663 OE1 GLU A 136 -0.156 4.888 -10.676 1.00 3.11 O ATOM 664 OE2 GLU A 136 -0.087 7.101 -10.739 1.00 1.41 O ATOM 0 H GLU A 136 -2.465 3.896 -6.448 1.00 1.28 H new ATOM 0 HA GLU A 136 -2.467 4.568 -9.327 1.00 1.22 H new ATOM 0 HB2 GLU A 136 -0.801 4.868 -6.947 1.00 1.05 H new ATOM 0 HB3 GLU A 136 0.074 4.139 -8.279 1.00 1.05 H new ATOM 0 HG2 GLU A 136 -1.611 6.651 -8.590 1.00 0.71 H new ATOM 0 HG3 GLU A 136 0.090 6.696 -8.173 1.00 0.71 H new ATOM 671 N CYS A 137 -0.727 1.940 -8.826 1.00 0.89 N ATOM 672 CA CYS A 137 -0.289 0.681 -9.402 1.00 0.89 C ATOM 673 C CYS A 137 -1.307 -0.453 -9.152 1.00 0.94 C ATOM 674 O CYS A 137 -1.815 -1.135 -10.054 1.00 1.73 O ATOM 675 CB CYS A 137 1.086 0.408 -8.737 1.00 0.83 C ATOM 676 SG CYS A 137 1.183 0.595 -6.934 1.00 0.72 S ATOM 0 H CYS A 137 -0.011 2.342 -8.221 1.00 0.89 H new ATOM 0 HA CYS A 137 -0.207 0.729 -10.488 1.00 0.89 H new ATOM 0 HB2 CYS A 137 1.388 -0.609 -8.989 1.00 0.83 H new ATOM 0 HB3 CYS A 137 1.819 1.078 -9.187 1.00 0.83 H new ATOM 0 HG CYS A 137 0.332 1.498 -6.545 1.00 0.72 H new ATOM 681 N GLY A 138 -1.539 -0.671 -7.860 1.00 0.74 N ATOM 682 CA GLY A 138 -2.232 -1.839 -7.337 1.00 1.11 C ATOM 683 C GLY A 138 -1.435 -2.742 -6.418 1.00 1.20 C ATOM 684 O GLY A 138 -1.829 -3.892 -6.198 1.00 1.59 O ATOM 0 H GLY A 138 -1.241 -0.022 -7.132 1.00 0.74 H new ATOM 0 HA2 GLY A 138 -3.116 -1.498 -6.798 1.00 1.11 H new ATOM 0 HA3 GLY A 138 -2.582 -2.434 -8.180 1.00 1.11 H new ATOM 688 N SER A 139 -0.362 -2.255 -5.803 1.00 0.99 N ATOM 689 CA SER A 139 0.087 -2.880 -4.584 1.00 1.14 C ATOM 690 C SER A 139 -0.917 -2.530 -3.491 1.00 1.04 C ATOM 691 O SER A 139 -0.906 -1.417 -2.980 1.00 1.40 O ATOM 692 CB SER A 139 1.533 -2.486 -4.284 1.00 1.21 C ATOM 693 OG SER A 139 1.727 -1.108 -4.369 1.00 1.79 O ATOM 0 H SER A 139 0.190 -1.458 -6.121 1.00 0.99 H new ATOM 0 HA SER A 139 0.115 -3.967 -4.664 1.00 1.14 H new ATOM 0 HB2 SER A 139 1.803 -2.829 -3.285 1.00 1.21 H new ATOM 0 HB3 SER A 139 2.199 -2.990 -4.985 1.00 1.21 H new ATOM 0 HG SER A 139 1.631 -0.821 -5.301 1.00 1.79 H new ATOM 699 N VAL A 140 -1.812 -3.461 -3.143 1.00 0.65 N ATOM 700 CA VAL A 140 -2.420 -3.421 -1.813 1.00 0.58 C ATOM 701 C VAL A 140 -1.320 -3.606 -0.773 1.00 0.52 C ATOM 702 O VAL A 140 -0.363 -4.338 -0.997 1.00 0.56 O ATOM 703 CB VAL A 140 -3.560 -4.463 -1.624 1.00 0.57 C ATOM 704 CG1 VAL A 140 -4.303 -4.433 -0.273 1.00 0.49 C ATOM 705 CG2 VAL A 140 -4.654 -4.357 -2.699 1.00 0.70 C ATOM 0 H VAL A 140 -2.122 -4.226 -3.742 1.00 0.65 H new ATOM 0 HA VAL A 140 -2.900 -2.450 -1.688 1.00 0.58 H new ATOM 0 HB VAL A 140 -2.995 -5.393 -1.692 1.00 0.57 H new ATOM 0 HG11 VAL A 140 -5.073 -5.205 -0.264 1.00 0.49 H new ATOM 0 HG12 VAL A 140 -3.595 -4.616 0.536 1.00 0.49 H new ATOM 0 HG13 VAL A 140 -4.767 -3.456 -0.134 1.00 0.49 H new ATOM 0 HG21 VAL A 140 -5.421 -5.109 -2.513 1.00 0.70 H new ATOM 0 HG22 VAL A 140 -5.103 -3.365 -2.664 1.00 0.70 H new ATOM 0 HG23 VAL A 140 -4.215 -4.522 -3.683 1.00 0.70 H new ATOM 715 N TYR A 141 -1.500 -2.924 0.349 1.00 0.47 N ATOM 716 CA TYR A 141 -0.674 -2.845 1.550 1.00 0.45 C ATOM 717 C TYR A 141 -1.473 -3.218 2.800 1.00 0.43 C ATOM 718 O TYR A 141 -2.695 -3.050 2.836 1.00 0.51 O ATOM 719 CB TYR A 141 -0.215 -1.394 1.729 1.00 0.51 C ATOM 720 CG TYR A 141 0.835 -0.977 0.743 1.00 0.69 C ATOM 721 CD1 TYR A 141 0.486 -0.470 -0.524 1.00 1.31 C ATOM 722 CD2 TYR A 141 2.185 -1.159 1.098 1.00 2.14 C ATOM 723 CE1 TYR A 141 1.503 -0.205 -1.447 1.00 1.31 C ATOM 724 CE2 TYR A 141 3.201 -0.846 0.185 1.00 2.32 C ATOM 725 CZ TYR A 141 2.864 -0.400 -1.108 1.00 1.11 C ATOM 726 OH TYR A 141 3.854 -0.200 -2.016 1.00 1.35 O ATOM 0 H TYR A 141 -2.330 -2.341 0.453 1.00 0.47 H new ATOM 0 HA TYR A 141 0.163 -3.534 1.432 1.00 0.45 H new ATOM 0 HB2 TYR A 141 -1.077 -0.733 1.633 1.00 0.51 H new ATOM 0 HB3 TYR A 141 0.174 -1.265 2.739 1.00 0.51 H new ATOM 0 HD1 TYR A 141 -0.548 -0.289 -0.778 1.00 1.31 H new ATOM 0 HD2 TYR A 141 2.438 -1.541 2.076 1.00 2.14 H new ATOM 0 HE1 TYR A 141 1.246 0.154 -2.433 1.00 1.31 H new ATOM 0 HE2 TYR A 141 4.238 -0.946 0.471 1.00 2.32 H new ATOM 0 HH TYR A 141 3.576 0.486 -2.658 1.00 1.35 H new ATOM 736 N LYS A 142 -0.778 -3.654 3.852 1.00 0.42 N ATOM 737 CA LYS A 142 -1.364 -3.829 5.168 1.00 0.33 C ATOM 738 C LYS A 142 -0.709 -2.971 6.248 1.00 0.34 C ATOM 739 O LYS A 142 0.478 -2.629 6.230 1.00 0.52 O ATOM 740 CB LYS A 142 -1.338 -5.303 5.612 1.00 0.58 C ATOM 741 CG LYS A 142 -2.674 -5.580 6.307 1.00 0.38 C ATOM 742 CD LYS A 142 -2.703 -6.756 7.268 1.00 0.74 C ATOM 743 CE LYS A 142 -4.101 -6.754 7.893 1.00 0.91 C ATOM 744 NZ LYS A 142 -4.330 -5.617 8.822 1.00 2.40 N ATOM 0 H LYS A 142 0.212 -3.895 3.807 1.00 0.42 H new ATOM 0 HA LYS A 142 -2.396 -3.495 5.060 1.00 0.33 H new ATOM 0 HB2 LYS A 142 -1.204 -5.963 4.755 1.00 0.58 H new ATOM 0 HB3 LYS A 142 -0.504 -5.488 6.289 1.00 0.58 H new ATOM 0 HG2 LYS A 142 -2.967 -4.684 6.854 1.00 0.38 H new ATOM 0 HG3 LYS A 142 -3.430 -5.747 5.540 1.00 0.38 H new ATOM 0 HD2 LYS A 142 -2.511 -7.693 6.745 1.00 0.74 H new ATOM 0 HD3 LYS A 142 -1.933 -6.654 8.033 1.00 0.74 H new ATOM 0 HE2 LYS A 142 -4.846 -6.720 7.098 1.00 0.91 H new ATOM 0 HE3 LYS A 142 -4.252 -7.690 8.431 1.00 0.91 H new ATOM 0 HZ1 LYS A 142 -4.895 -5.940 9.633 1.00 2.40 H new ATOM 0 HZ2 LYS A 142 -3.415 -5.255 9.160 1.00 2.40 H new ATOM 0 HZ3 LYS A 142 -4.840 -4.859 8.324 1.00 2.40 H new ATOM 758 N LEU A 143 -1.532 -2.737 7.262 1.00 0.37 N ATOM 759 CA LEU A 143 -1.087 -2.369 8.592 1.00 0.52 C ATOM 760 C LEU A 143 -1.004 -3.606 9.483 1.00 0.52 C ATOM 761 O LEU A 143 -1.825 -4.517 9.373 1.00 0.63 O ATOM 762 CB LEU A 143 -2.093 -1.380 9.166 1.00 0.78 C ATOM 763 CG LEU A 143 -1.473 -0.603 10.337 1.00 0.97 C ATOM 764 CD1 LEU A 143 -1.741 0.866 10.090 1.00 0.77 C ATOM 765 CD2 LEU A 143 -2.073 -1.009 11.675 1.00 1.36 C ATOM 0 H LEU A 143 -2.547 -2.800 7.177 1.00 0.37 H new ATOM 0 HA LEU A 143 -0.095 -1.919 8.545 1.00 0.52 H new ATOM 0 HB2 LEU A 143 -2.413 -0.685 8.389 1.00 0.78 H new ATOM 0 HB3 LEU A 143 -2.982 -1.912 9.504 1.00 0.78 H new ATOM 0 HG LEU A 143 -0.406 -0.820 10.388 1.00 0.97 H new ATOM 0 HD11 LEU A 143 -1.315 1.455 10.902 1.00 0.77 H new ATOM 0 HD12 LEU A 143 -1.285 1.166 9.147 1.00 0.77 H new ATOM 0 HD13 LEU A 143 -2.817 1.037 10.043 1.00 0.77 H new ATOM 0 HD21 LEU A 143 -1.604 -0.434 12.473 1.00 1.36 H new ATOM 0 HD22 LEU A 143 -3.145 -0.813 11.668 1.00 1.36 H new ATOM 0 HD23 LEU A 143 -1.900 -2.072 11.844 1.00 1.36 H new ATOM 777 N ASN A 144 -0.044 -3.611 10.398 1.00 0.59 N ATOM 778 CA ASN A 144 0.125 -4.698 11.375 1.00 0.74 C ATOM 779 C ASN A 144 -0.414 -4.360 12.787 1.00 1.10 C ATOM 780 O ASN A 144 -0.437 -3.198 13.172 1.00 1.24 O ATOM 781 CB ASN A 144 1.607 -5.144 11.428 1.00 0.75 C ATOM 782 CG ASN A 144 2.665 -4.050 11.362 1.00 1.01 C ATOM 783 OD1 ASN A 144 2.450 -2.909 11.740 1.00 1.54 O ATOM 784 ND2 ASN A 144 3.848 -4.415 10.908 1.00 1.00 N ATOM 0 H ASN A 144 0.645 -2.864 10.491 1.00 0.59 H new ATOM 0 HA ASN A 144 -0.488 -5.528 11.025 1.00 0.74 H new ATOM 0 HB2 ASN A 144 1.758 -5.705 12.350 1.00 0.75 H new ATOM 0 HB3 ASN A 144 1.782 -5.834 10.602 1.00 0.75 H new ATOM 0 HD21 ASN A 144 4.610 -3.738 10.867 1.00 1.00 H new ATOM 0 HD22 ASN A 144 4.002 -5.375 10.598 1.00 1.00 H new ATOM 791 N PRO A 145 -0.773 -5.376 13.606 1.00 1.34 N ATOM 792 CA PRO A 145 -1.265 -5.241 14.989 1.00 1.68 C ATOM 793 C PRO A 145 -0.226 -4.809 16.026 1.00 1.84 C ATOM 794 O PRO A 145 -0.572 -4.609 17.184 1.00 2.30 O ATOM 795 CB PRO A 145 -1.745 -6.641 15.376 1.00 1.90 C ATOM 796 CG PRO A 145 -0.752 -7.506 14.612 1.00 1.74 C ATOM 797 CD PRO A 145 -0.733 -6.789 13.271 1.00 1.43 C ATOM 0 HA PRO A 145 -2.022 -4.457 14.997 1.00 1.68 H new ATOM 0 HB2 PRO A 145 -1.699 -6.811 16.452 1.00 1.90 H new ATOM 0 HB3 PRO A 145 -2.775 -6.824 15.069 1.00 1.90 H new ATOM 0 HG2 PRO A 145 0.230 -7.526 15.085 1.00 1.74 H new ATOM 0 HG3 PRO A 145 -1.085 -8.540 14.524 1.00 1.74 H new ATOM 0 HD2 PRO A 145 0.164 -7.036 12.703 1.00 1.43 H new ATOM 0 HD3 PRO A 145 -1.587 -7.075 12.657 1.00 1.43 H new ATOM 805 N VAL A 146 1.032 -4.749 15.603 1.00 1.58 N ATOM 806 CA VAL A 146 2.237 -4.403 16.355 1.00 1.72 C ATOM 807 C VAL A 146 1.995 -3.311 17.421 1.00 1.97 C ATOM 808 O VAL A 146 1.247 -2.362 17.188 1.00 2.14 O ATOM 809 CB VAL A 146 3.368 -4.041 15.369 1.00 1.65 C ATOM 810 CG1 VAL A 146 3.114 -2.697 14.711 1.00 1.65 C ATOM 811 CG2 VAL A 146 4.752 -4.117 15.987 1.00 2.30 C ATOM 0 H VAL A 146 1.257 -4.962 14.631 1.00 1.58 H new ATOM 0 HA VAL A 146 2.545 -5.277 16.929 1.00 1.72 H new ATOM 0 HB VAL A 146 3.353 -4.804 14.591 1.00 1.65 H new ATOM 0 HG11 VAL A 146 3.928 -2.470 14.022 1.00 1.65 H new ATOM 0 HG12 VAL A 146 2.173 -2.733 14.162 1.00 1.65 H new ATOM 0 HG13 VAL A 146 3.059 -1.922 15.476 1.00 1.65 H new ATOM 0 HG21 VAL A 146 5.499 -3.851 15.240 1.00 2.30 H new ATOM 0 HG22 VAL A 146 4.814 -3.424 16.826 1.00 2.30 H new ATOM 0 HG23 VAL A 146 4.938 -5.131 16.340 1.00 2.30 H new ATOM 821 N GLY A 147 2.615 -3.444 18.600 1.00 2.43 N ATOM 822 CA GLY A 147 2.378 -2.613 19.766 1.00 2.85 C ATOM 823 C GLY A 147 3.659 -2.386 20.552 1.00 2.93 C ATOM 824 O GLY A 147 4.573 -3.204 20.584 1.00 3.07 O ATOM 0 H GLY A 147 3.320 -4.163 18.765 1.00 2.43 H new ATOM 0 HA2 GLY A 147 1.966 -1.654 19.454 1.00 2.85 H new ATOM 0 HA3 GLY A 147 1.634 -3.086 20.407 1.00 2.85 H new